![2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone structure](/static/products/1410/141075-27-6.webp)
2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone
TL;DR: 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone (CAS 141075-27-6) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-phenylethanone
Also Known As: 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone, 2-(5-nitrobenzimidazol-2-ylthio)-1-phenylethan-1-one, 2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]-1-phenylethan-1-one, 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-phenylethanone, F0212-0035
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.4461 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 845.61975 |
Chemical Identifiers
| CAS Number | 141075-27-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone (CAS 141075-27-6), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone
Property Insights of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone
The XLogP value of 3.4461 indicates that 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone?
The CAS number of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone is 141075-27-6.
What is the molecular formula of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone?
The molecular formula of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone is C15H11N3O3S.
What is the molecular weight of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone?
The molecular weight of 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone is 313.05 g/mol.
Where can I buy 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone?
You can request a quote for 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.